3-ethyl-5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-ethyl-5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-[(1S)-1-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-ethyl-5-[(1S)-1-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-ethyl-5-[(1S)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Traditional Name: 3-ethyl-5-[(1S)-1-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=NOC(=N1)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H24N4O3S/c1-3-19-21-20(27-22-19)15(2)23-10-12-24(13-11-23)28(25,26)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,3,10-13H2,1-2H3/p+1/t15-/m0/s1